Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 8/20 | 0.42 |
| ▸ | CHUK | O15111 | 8/20 | 0.42 |
| ▸ | TOP2A | P11388 | 3/20 | 0.39 |
| ▸ | NEK1 | Q96PY6 | 3/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CKS1B | P61024 | 2/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL29543687 | 1.00 | IKBKB (0.42) | IKBKBCHUKTOP2ANEK1CCR1 | |
| SCHEMBL29432921 | 0.98 | IKBKB (0.43) | IKBKBCHUKTOP2ANEK1CCR1 | |
| SCHEMBL1502442 | 0.98 | IKBKB (0.43) | IKBKBCHUKTOP2ANEK1CCR1 | |
| SCHEMBL29265676 | 0.91 | TDP1 (0.41) | IKBKBCHUKTOP2ANEK1CCR1 | |
| SCHEMBL338486 | 0.81 | LMNA (0.46) | IKBKBCHUKTOP2ANEK1PIK3C3 | |
| SCHEMBL14163898 | 0.75 | TDP1 (0.58) | IKBKBCHUKTOP2ACKS1BSKP2 | |
| SCHEMBL3369301 | 0.74 | GLO1 (0.40) | IKBKBCHUKTOP2AROCK1CKS1B | |
| SCHEMBL22614030 | 0.73 | TOP2A (0.39) | IKBKBCHUKTOP2ANEK1CCR1 | |
| SCHEMBL22374812 | 0.73 | TOP2A (0.43) | IKBKBCHUKTOP2AROCK1CKS1B | |
| SCHEMBL21240720 | 0.73 | CKS1B (0.47) | IKBKBCHUKTOP2AROCK1CKS1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240377326-A1 | USE OF FLUORESCENT OR VISIBLE TRACERS TO MONITOR NUTRIENT CONCENTRATIONS IN SOLUTION | FEHR SOLUTIONS, LLC | 2024-11-14 | — | — | US | claimed |
| WO-2023043974-A1 | USE OF FLUORESCENT TRACERS TO MONITOR NUTRIENT CONCENTRATIONS IN SOLUTION | FEHR SOLUTIONS, LLC (US) | 2023-03-23 | — | — | WO | claimed |
| EP-1708882-A1 | METHOD OF TRACING PROCESS PRINTING FLUIDS | Nalco Company (US) | 2006-10-11 | — | — | EP | claimed |
| US-20060150850-A1 | Method of tracing process printing fluids | ECOLAB USA INC. | 2006-07-13 | — | — | US | claimed |
| WO-2005072964-A1 | METHOD OF TRACING PROCESS PRINTING FLUIDS | NALCO COMPANY (US) | 2005-08-11 | — | — | WO | claimed |
| US-20050166780-A1 | Method of tracing process printing fluids | NALCO COMPANY | 2005-08-04 | — | — | US | claimed |
| EP-4069643-B1 | METHODS AND SYSTEMS FOR MONITORING OR CONTROLLING ANTI-SCALANT CONCENTRATION | STERLING SPECIALTY CHEMICALS HOLDING UK LTD (GB) | 2025-03-19 | — | — | EP | disclosed |
| EP-3759466-B1 | CALIBRATION OF A FLUOROMETER FOR AN ULTRA-LOW CONCENTRATION MEASUREMENT RANGE | ECOLAB USA INC (US) | 2025-01-22 | — | — | EP | disclosed |
| US-20240377326-A1 | USE OF FLUORESCENT OR VISIBLE TRACERS TO MONITOR NUTRIENT CONCENTRATIONS IN SOLUTION | FEHR SOLUTIONS, LLC | 2024-11-14 | — | — | US | disclosed |
| CN-111758020-B | Ultra low range fluorometer calibration | 埃科莱布美国股份有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-117512096-A | Marker for predicting occurrence of repeated implantation failure and application thereof | 山东大学 | 2024-02-06 | — | — | CN | disclosed |
| US-11885216-B2 | Perforating and tracer injection system for oilfield applications | CORE LABORATORIES LP (US) | 2024-01-30 | — | — | US | disclosed |
| CN-113242760-B | Rapid tracer injection for monitoring osmotic membrane integrity | 埃科莱布美国股份有限公司 | 2023-10-03 | — | — | CN | disclosed |
| WO-2003082450-A1 | METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES | NALCO COMPANY (US) | 2003-10-09 | — | — | WO | disclosed |
| WO-2003082447-A1 | METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES | NALCO COMPANY (US) | 2003-10-09 | — | — | WO | disclosed |
| US-20030183575-A1 | METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES | ECOLAB USA INC. | 2003-10-02 | — | — | US | disclosed |
| US-20030071212-A1 | Method of tracing drains | ECOLAB USA INC. | 2003-04-17 | — | — | US | disclosed |
| WO-2003029794-A1 | METHOD OF TRACING DRAINS | ONDEO NALCO COMPANY (US) | 2003-04-10 | — | — | WO | disclosed |
| US-6472219-B1 | CONCENTRATION OF TREATMENT PRODUCTS APPLIED TO CUT FLOWER WATER, I.E. IN ORDER TO PREVENT LEAF YELLOWING, ETC. DETERMINED USING FLUOROESCENT INDICATOR | ONDEO NALCO COMPANY | 2002-10-29 | — | — | US | disclosed |
| WO-2002017717-A1 | USE OF TRACERS TO MONITOR APPLICATION OF TREATMENT PRODUCTS TO CUT FLOWERS | ONDEO NALCO COMPANY (US) | 2002-03-07 | — | — | WO | disclosed |